1pmq
TL;DR: 1pmq (CAS 200801-77-0) is a chemical compound with molecular formula C27H34Cl2N6 and molecular weight 512.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cyclohexyl-4-[5-(3,4-dichlorophenyl)-2-piperidin-4-yl-3-propylimidazol-4-yl]pyrimidin-2-amine
Also Known As: 1pmq, imidazole-pyrimidine compound 2, p38-, A MAPK-IN-10, CYCLOHEXYL-{4-[5-(3,4-DICHLOROPHENYL)-2-PIPERIDIN-4-YL-3-PROPYL-3H-IMIDAZOL-4-YL]-PYRIMIDIN-2-YL}AMINE
| Molecular Formula | C27H34Cl2N6 |
|---|---|
| Molecular Weight | 512.22 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 512.2222 |
| Heavy Atoms | 35 |
| Complexity | 643.0 |
Chemical Identifiers
| CAS Number | 200801-77-0 |
|---|---|
| SMILES | CCCN1C(=NC(=C1C2=NC(=NC=C2)NC3CCCCC3)C4=CC(=C(C=C4)Cl)Cl)C5CCNCC5 |
| InChIKey | UQFRSHRWRKYNDE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1pmq (CAS 200801-77-0), with molecular formula C27H34Cl2N6 and molecular weight 512.22 g/mol. IUPAC: N-cyclohexyl-4-[5-(3,4-dichlorophenyl)-2-piperidin-4-yl-3-propylimidazol-4-yl]pyrimidin-2-amine.
Chemical Property Profile of 1pmq
Property Insights of 1pmq
The XLogP value of 6.0 indicates that 1pmq is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1pmq. Following Lipinski's Rule of Five, 1pmq has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1pmq?
The CAS number of 1pmq is 200801-77-0.
What is the molecular formula of 1pmq?
The molecular formula of 1pmq is C27H34Cl2N6.
What is the molecular weight of 1pmq?
The molecular weight of 1pmq is 512.22 g/mol.
Where can I buy 1pmq?
You can request a quote for 1pmq directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1pmq?
Yes, KEHONG BIO provides custom synthesis services for 1pmq and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.